sodium 2-[3,5-dimethyl-6-oxidanyl-3-(phenylcarbonyl)cyclohexa-1,4-dien-1-yl]ethanoate

Systemtic Name: sodium 2-[3,5-dimethyl-6-oxidanyl-3-(phenylcarbonyl)cyclohexa-1,4-dien-1-yl]ethanoate Openeye Name: sodium 2-(3-benzoyl-6-hydroxy-3,5-dimethyl-cyclohexa-1,4-dien-1-yl)acetate CAS Name: sodium 2-(3-benzoyl-6-hydroxy-3,5-dimethyl-1-cyclohexa-1,4-dienyl)acetate IUPAC Name: sodium 2-(3-benzoyl-6-hydroxy-3,5-dimethylcyclohexa-1,4-dien-1-yl)acetate Traditional Name: sodium 2-(3-benzoyl-6-hydroxy-3,5-dimethyl-cyclohexa-1,4-dien-1-yl)acetate Formula: C17H17NaO4 MolecularWeight: 308.30425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=C(C1O)CC(=O)[O-])(C)C(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=CC(C=C(C1O)CC(=O)[O-])(C)C(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C17H18O4.Na/c1-11-9-17(2,10-13(15(11)20)8-14(18)19)16(21)12-6-4-3-5-7-12;/h3-7,9-10,15,20H,8H2,1-2H3,(H,18,19);/q;+1/p-1